[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 2-(2-chlorophenyl)sulfanylpyridine-3-carboxylate

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 2-(2-chlorophenyl)sulfanylpyridine-3-carboxylate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] 2-(2-chlorophenyl)sulfanylpyridine-3-carboxylate CAS Name: 2-[(2-chlorophenyl)thio]-3-pyridinecarboxylic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-(2-chlorophenyl)sulfanylpyridine-3-carboxylate Traditional Name: 2-[(2-chlorophenyl)thio]nicotinic acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C20H18ClN3O3S MolecularWeight: 415.89322

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C#N)NC(=O)COC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3Cl

Isomeric SMILES

C1CCC(C1)(C#N)NC(=O)COC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3Cl

InChI

InChI=1S/C20H18ClN3O3S/c21-15-7-1-2-8-16(15)28-18-14(6-5-11-23-18)19(26)27-12-17(25)24-20(13-22)9-3-4-10-20/h1-2,5-8,11H,3-4,9-10,12H2,(H,24,25)